4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,6-dihydro-2H-pyridin-4-yl]phenol

C17H14F3N5O — CID 59578371

IUPAC4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,6-dihydro-2H-pyridin-4-yl]phenol
SMILESOc1ccc(C2=CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1
InChIInChI=1S/C17H14F3N5O/c18-17(19,20)16-22-21-14-5-6-15(23-25(14)16)24-9-7-12(8-10-24)11-1-3-13(26)4-2-11/h1-7,26H,8-10H2
InChIKeyFHPPJSLMPMUTCL-UHFFFAOYSA-N
MW361.33 g/mol
LogP3.14
Rot. Bonds2

About 4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,6-dihydro-2H-pyridin-4-yl]phenol

4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,6-dihydro-2H-pyridin-4-yl]phenol (PubChem CID 59578371) has the molecular formula C17H14F3N5O and a molecular weight of 361.33 g/mol. Its IUPAC name is 4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,6-dihydro-2H-pyridin-4-yl]phenol.

Molecular Properties

Compound Name4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,6-dihydro-2H-pyridin-4-yl]phenol
PubChem CID59578371
Molecular FormulaC17H14F3N5O
Molecular Weight361.33 g/mol
Exact Mass361.12
IUPAC Name4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,6-dihydro-2H-pyridin-4-yl]phenol
SMILESOc1ccc(C2=CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1
InChIInChI=1S/C17H14F3N5O/c18-17(19,20)16-22-21-14-5-6-15(23-25(14)16)24-9-7-12(8-10-24)11-1-3-13(26)4-2-11/h1-7,26H,8-10H2
InChIKeyFHPPJSLMPMUTCL-UHFFFAOYSA-N
XLogP3.14
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,6-dihydro-2H-pyridin-4-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,6-dihydro-2H-pyridin-4-yl]phenol?
The IUPAC name of 4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,6-dihydro-2H-pyridin-4-yl]phenol (CID 59578371) is 4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,6-dihydro-2H-pyridin-4-yl]phenol.
What is the SMILES notation for 4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,6-dihydro-2H-pyridin-4-yl]phenol?
The canonical SMILES for 4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,6-dihydro-2H-pyridin-4-yl]phenol is Oc1ccc(C2=CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1.
What is the InChIKey of 4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,6-dihydro-2H-pyridin-4-yl]phenol?
The InChIKey is FHPPJSLMPMUTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O/c18-17(19,20)16-22-21-14-5-6-15(23-25(14)16)24-9-7-12(8-10-24)11-1-3-13(26)4-2-11/h1-7,26H,8-10H2.
What are the key properties of 4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,6-dihydro-2H-pyridin-4-yl]phenol?
4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,6-dihydro-2H-pyridin-4-yl]phenol has a molecular weight of 361.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-3,6-dihydro-2H-pyridin-4-yl]phenol is sourced from PubChem (CID 59578371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).